Information card for entry 7720953

Structure parameters

• Formula: C79.2 H82.4 B Cu F4 N4 O0.8
• Calculated formula: C76 H76 B Cu F4 N4
• Title of publication: Photoactive four-coordinate copper(I) complexes based on chelating diimine, diphosphine, and diisocyanide ligands with high excited-state energies.
• Authors of publication: Eggenweiler, Tim H.; Prescimone, Alessandro; Häussinger, Daniel; Wenger, Oliver S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 19
• Pages of publication: 7546 - 7553
• a: 18.339 ± 0.0003 Å
• b: 14.3768 ± 0.0002 Å
• c: 25.9417 ± 0.0005 Å
• α: 90°
• β: 101.152 ± 0.001°
• γ: 90°
• Cell volume: 6710.5 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.147
• Residual factor for significantly intense reflections: 0.1136
• Weighted residual factors for significantly intense reflections: 0.2356
• Weighted residual factors for all reflections included in the refinement: 0.2582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No